[4-[1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropyl]phenyl] N,N-dimethylcarbamate

C19H30N2O5 — CID 68819415

IUPAC[4-[1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropyl]phenyl] N,N-dimethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C(CCO)c1ccc(OC(=O)N(C)C)cc1
InChIInChI=1S/C19H30N2O5/c1-7-21(18(24)26-19(2,3)4)16(12-13-22)14-8-10-15(11-9-14)25-17(23)20(5)6/h8-11,16,22H,7,12-13H2,1-6H3
InChIKeyBDZJHCQTFVXEBH-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.43
Rot. Bonds6

About [4-[1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropyl]phenyl] N,N-dimethylcarbamate

[4-[1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropyl]phenyl] N,N-dimethylcarbamate (PubChem CID 68819415) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is [4-[1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropyl]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-[1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropyl]phenyl] N,N-dimethylcarbamate
PubChem CID68819415
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Name[4-[1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropyl]phenyl] N,N-dimethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C(CCO)c1ccc(OC(=O)N(C)C)cc1
InChIInChI=1S/C19H30N2O5/c1-7-21(18(24)26-19(2,3)4)16(12-13-22)14-8-10-15(11-9-14)25-17(23)20(5)6/h8-11,16,22H,7,12-13H2,1-6H3
InChIKeyBDZJHCQTFVXEBH-UHFFFAOYSA-N
XLogP3.43
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropyl]phenyl] N,N-dimethylcarbamate with MolForge

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Related Compounds

[4-[(1S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate
CID 90918476
tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 87174502
tert-butyl N-[1-(4-cyanophenyl)-3-hydroxypropyl]-N-hydroxycarbamate
CID 129188716
[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] N,N-dimethylcarbamate
CID 135073898
methyl (3S)-3-[[2-[methoxy(methyl)amino]-2-oxoethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 101118469
tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate
CID 116860960
tert-butyl [4-[[(2S)-1-hydroxypropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl] carbonate
CID 70185068
tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)propan-2-yl]-N-ethylcarbamate
CID 130871466
tert-butyl N-[1-(3,5-difluorophenyl)-3-hydroxypropyl]-N-hydroxycarbamate
CID 155250734
(4-methoxyphenyl) N-ethyl-N-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamate
CID 59112070
[4-[1-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl] 2-methoxy-2-phenylacetate
CID 67440226
tert-butyl N-hydroxy-N-(3-hydroxy-1-imidazo[1,2-a]pyridin-6-ylpropyl)carbamate
CID 162376290

Frequently Asked Questions

What is the IUPAC name of [4-[1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropyl]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [4-[1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropyl]phenyl] N,N-dimethylcarbamate (CID 68819415) is [4-[1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropyl]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-[1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropyl]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [4-[1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropyl]phenyl] N,N-dimethylcarbamate is CCN(C(=O)OC(C)(C)C)C(CCO)c1ccc(OC(=O)N(C)C)cc1.
What is the InChIKey of [4-[1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropyl]phenyl] N,N-dimethylcarbamate?
The InChIKey is BDZJHCQTFVXEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-7-21(18(24)26-19(2,3)4)16(12-13-22)14-8-10-15(11-9-14)25-17(23)20(5)6/h8-11,16,22H,7,12-13H2,1-6H3.
What are the key properties of [4-[1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropyl]phenyl] N,N-dimethylcarbamate?
[4-[1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropyl]phenyl] N,N-dimethylcarbamate has a molecular weight of 366.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropyl]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 68819415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).